SCHEMBL24372236

SCHEMBL24372236

O=C(CCC1(CC2(CC3(CCC(=O)Oc4ccccc4)c4ccccc4-c4ncccc43)c3ccccc3-c3ncccc32)c2ccccc2-c2ncccc21)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDK2 Q15119 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ TDP2 O95551 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ USP2 O75604 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24349774 0.99 APEX1 (0.43) APEX1CYP1A2CYP2C19KMT2APDK2
SCHEMBL24349755 0.94 APEX1 (0.48) APEX1CYP1A2CYP2C19KMT2APDK2
SCHEMBL24349764 0.92 CYP19A1 (0.40) APEX1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL24350385 0.90 APEX1 (0.34) APEX1CYP1A2CYP2C19KMT2APDK2
SCHEMBL24372294 0.87 CYP1A2 (0.43) APEX1CYP1A2CYP2C19KMT2APDK2
SCHEMBL24349754 0.86 CYP19A1 (0.42) APEX1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL17022516 0.86 APEX1 (0.55) APEX1CYP1A2KMT2APDK2LMNA
SCHEMBL24350382 0.86 KMT2A (0.45) APEX1CYP1A2CYP2C19KMT2APDK2
SCHEMBL15691732 0.85 APEX1 (0.57) APEX1CYP1A2KMT2APDK2LMNA
SCHEMBL29360310 0.85 APEX1 (0.57) APEX1CYP1A2KMT2APDK2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3988599-B1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND MITSUBISHI CHEM CORP (JP) 2023-10-18 — — EP disclosed
EP-3988599-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND Mitsubishi Chemical Corporation (JP) 2022-04-27 — — EP disclosed
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